SCHEMBL4409040

SCHEMBL4409040

CCCCCCc1nnnn1CCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC9A1 P19634 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4407820 0.98 CYP1A2 (0.40) CYP1A2ALDH1A1SLC9A1MEN1CYP2C9
SCHEMBL4414808 0.93 SLC9A1 (0.42) ALDH1A1SLC9A1MEN1CYP2C19KMT2A
SCHEMBL4408311 0.93 MEN1 (0.40) SLC9A1MEN1CYP2C19KMT2ALMNA
SCHEMBL4409237 0.93 SLC9A1 (0.42) ALDH1A1SLC9A1MEN1CYP2C19KMT2A
SCHEMBL4407183 0.93 SLC9A1 (0.42) ALDH1A1SLC9A1MEN1CYP2C19KMT2A
SCHEMBL4407174 0.92 ALDH1A1 (0.41) CYP1A2ALDH1A1MEN1CYP2C9CYP2C19
SCHEMBL4414852 0.91 KMT2A (0.41) ALDH1A1SLC9A1MEN1CYP2C19KMT2A
SCHEMBL4405575 0.91 SLC9A1 (0.41) ALDH1A1SLC9A1MEN1CYP2C19KMT2A
SCHEMBL4403652 0.89 SLC9A1 (0.42) ALDH1A1SLC9A1MEN1CYP2C19KMT2A
SCHEMBL4403827 0.87 SLC9A1 (0.41) ALDH1A1SLC9A1MEN1CYP2C19KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed